3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide

C21H19N3O3S — CID 56667239

About 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide

3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide (PubChem CID 56667239) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
• PubChem CID: 56667239
• Molecular Formula: C21H19N3O3S
• Molecular Weight: 393.47 g/mol
• Exact Mass: 393.11
• IUPAC Name: 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
• SMILES: CC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1CO
• InChI: InChI=1S/C21H19N3O3S/c1-13(15-7-3-2-6-14(15)12-25)27-17-10-18(28-20(17)21(22)26)16-11-23-19-8-4-5-9-24(16)19/h2-11,13,25H,12H2,1H3,(H2,22,26)
• InChIKey: RRIZJMOVTRNGOB-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 89.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.47
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?

The IUPAC name of 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide (CID 56667239) is 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide.

What is the SMILES notation for 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?

The canonical SMILES for 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide is CC(Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1CO.

What is the InChIKey of 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?

The InChIKey is RRIZJMOVTRNGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13(15-7-3-2-6-14(15)12-25)27-17-10-18(28-20(17)21(22)26)16-11-23-19-8-4-5-9-24(16)19/h2-11,13,25H,12H2,1H3,(H2,22,26).

What are the key properties of 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide?

3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(hydroxymethyl)phenyl]ethoxy]-5-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 56667239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).